Basic information
- Standard SMILES
COC(=O)c1ccc(Cn2cc(C3c4ccccc4C=Cc4ccccc43)c(=O)[nH]c2=O)o1- InChIKey
OCSBRCCBJGLLOL-UHFFFAOYSA-N- Molecular formula
- C26H20N2O5
- Average molar mass
- 440.4 g/mol
Names & identifiers
- Preferred name
- 5-[[5-{5H-Dibenzo[a,d]cyclohepten-5-yl}-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-2-furancarboxylic acid, methyl ester
- IUPAC
- methyl 5-[[2,4-dioxo-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidin-1-yl]methyl]furan-2-carboxylate
Names & synonyms
OCSBRCCBJGLLOL-UHFFFAOYSA-N5-[[5-{5H-Dibenzo[a,d]cyclohepten-5-yl}-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-2-furancarboxylic acid, methyl ester
Database identifiers
- PubChem CID
- 86756124
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 826
Related reactions
1 records
Compound notes
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